On Jan 11, 2013, at 18:00 , Nandan Tandon wrote: > 1. I was wondering why the grid is not symmetric. For instance > corresponding to the 6th point > (-1, 0, 0), how come the (1,0,0) point does not appear in the list?
k and -k are always equivalent by time invariance. In this case, they also differ by a reciprocal lattice vector > Why do the range of k_x values exceed unity? why not? you can always translate a k-vector by any reciprocal lattice vector P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
